3-prop-2-enyl-2-undecylsulfanyl-quinazolin-4-one

Systemtic Name: 3-prop-2-enyl-2-undecylsulfanyl-quinazolin-4-one Openeye Name: 3-allyl-2-undecylsulfanyl-quinazolin-4-one CAS Name: 3-prop-2-enyl-2-(undecylthio)-4-quinazolinone IUPAC Name: 3-prop-2-enyl-2-undecylsulfanylquinazolin-4-one Traditional Name: 3-allyl-2-(undecylthio)quinazolin-4-one Formula: C22H32N2OS MolecularWeight: 372.56728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CCCCCCCCCCCSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C22H32N2OS/c1-3-5-6-7-8-9-10-11-14-18-26-22-23-20-16-13-12-15-19(20)21(25)24(22)17-4-2/h4,12-13,15-16H,2-3,5-11,14,17-18H2,1H3